CID 135612725

1-((2'(z)-buten-1'-yloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C10H16N3O2
SMILES
C/C=C/COCN1C=C[N+](=C1/C=N\O)C
InChI
InChI=1S/C10H15N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h3-6,8H,7,9H2,1-2H3/p+1/b4-3+
InChIKey
NCYUQCRAHIPOLP-ONEGZZNKSA-O
Compound name
(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.12425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13153 146.9
[M+Na]+ 233.11347 155.3
[M-H]- 209.11697 148.4
[M+NH4]+ 228.15807 164.8
[M+K]+ 249.08741 147.6
[M+H-H2O]+ 193.12151 142.2
[M+HCOO]- 255.12245 170.9
[M+CH3COO]- 269.13810 180.8
[M+Na-2H]- 231.09892 153.9
[M]+ 210.12370 148.8
[M]- 210.12480 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.